2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propan-2-ylacetamide

C13H19N3O2S — CID 16868236

IUPAC2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propan-2-ylacetamide
SMILESCCc1cc(=O)n2c(n1)SCC2CC(=O)NC(C)C
InChIInChI=1S/C13H19N3O2S/c1-4-9-5-12(18)16-10(7-19-13(16)15-9)6-11(17)14-8(2)3/h5,8,10H,4,6-7H2,1-3H3,(H,14,17)
InChIKeyJSAGTLIQYVYLOK-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.37
Rot. Bonds4

About 2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propan-2-ylacetamide

2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propan-2-ylacetamide (PubChem CID 16868236) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propan-2-ylacetamide
PubChem CID16868236
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propan-2-ylacetamide
SMILESCCc1cc(=O)n2c(n1)SCC2CC(=O)NC(C)C
InChIInChI=1S/C13H19N3O2S/c1-4-9-5-12(18)16-10(7-19-13(16)15-9)6-11(17)14-8(2)3/h5,8,10H,4,6-7H2,1-3H3,(H,14,17)
InChIKeyJSAGTLIQYVYLOK-UHFFFAOYSA-N
XLogP1.37
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propan-2-ylacetamide (CID 16868236) is 2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propan-2-ylacetamide is CCc1cc(=O)n2c(n1)SCC2CC(=O)NC(C)C.
What is the InChIKey of 2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propan-2-ylacetamide?
The InChIKey is JSAGTLIQYVYLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-4-9-5-12(18)16-10(7-19-13(16)15-9)6-11(17)14-8(2)3/h5,8,10H,4,6-7H2,1-3H3,(H,14,17).
What are the key properties of 2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propan-2-ylacetamide?
2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propan-2-ylacetamide has a molecular weight of 281.38 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 16868236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).